Molecule ID: mol21342
SMILES: CCCC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1
InChI: InChI=1S/C24H24N4O3S/c1-3-6-23(29)25-18-13-14-20-22(15-18)27-21-8-5-4-7-19(21)24(20)26-16-9-11-17(12-10-16)28-32(2,30)31/h4-5,7-15,28H,3,6H2,1-2H3,(H,25,29)(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.37 | Baltruschat ChEMBL | 1 » 0 |